3',4'-DIMETHYLACETANILIDE(2198-54-1) IR1
Product Name3',4'-DIMETHYLACETANILIDE
CAS2198-54-1
Molecular FormulaC10H13NO
Molecular Weight163.22
InChIInChI=1S/C10H13NO/c1-7-4-5-10(6-8(7)2)11-9(3)12/h4-6H,1-3H3,(H,11,12)
InChIKey UAOIEEWQVAXCFY-UHFFFAOYSA-N
SmilesC(NC1=CC=C(C)C(C)=C1)(=O)C
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MassMS-IW-4951 3',4'-dimethylacetanilide C10H13NO (Mass of molecular ion: 163)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.2 27.0 1.6 28.0 2.1 39.0 3.5 41.0 2.0 42.0 1.2 43.0 12.5 50.0 1.0 51.0 3.2 52.0 2.2 53.0 2.4 63.0 1.5 65.0 3.4 77.0 10.5 78.0 2.9 79.0 2.1 80.0 1.0 91.0 7.9 92.0 1.8 93.0 3.3 103.0 1.8 104.0 1.9 105.0 1.6 106.0 43.8 107.0 4.0 118.0 2.3 119.0 2.5 120.0 45.4 121.0 100.0 122.0 9.7 132.0 1.0 163.0 55.0 164.0 6.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H13 N O 0.040 g : 0.5 ml CDCl3 3',4'-dimethylacetanilide 
Assign. Shift(ppm)
A 7.97 B 7.276 C 7.216 D 7.021 E 2.186 F 2.113
Hz ppm Int.3186.77 7.974 47 2908.81 7.279 121 2906.98 7.274 136 2889.65 7.231 71 2887.33 7.225 60 2881.47 7.210 84 2879.27 7.205 72 2809.94 7.032 122 2801.76 7.011 103 873.78 2.187 1000 844.48 2.114 955
in CDCl3
KBr disc
nujol mull
